2-[[4-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-(4-oxanyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1COCCC1N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C9H13N3O3S/c13-8(14)5-16-9-11-10-6-12(9)7-1-3-15-4-2-7/h6-7H,1-5H2,(H,13,14)